Information card for entry 4300131

Structure parameters

• Chemical name: [Mo(CO)2(S2C2Me2)2]
• Formula: C10 H12 Mo O2 S4
• Calculated formula: C10 H12 Mo O2 S4
• SMILES: [Mo]12(SC(=C(S1)C)C)(SC(=C(S2)C)C)(C#[O])C#[O]
• Title of publication: Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family
• Authors of publication: Booyong S. Lim; James P. Donahue; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 263 - 273
• a: 7.0975 ± 0.0002 Å
• b: 7.7209 ± 0.0002 Å
• c: 13.7181 ± 0.0003 Å
• α: 93.586 ± 0.001°
• β: 94.123 ± 0.001°
• γ: 95.551 ± 0.001°
• Cell volume: 744.45 ± 0.03 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0638
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No